dimethyl 2-(4,5-dimethoxy-2-nitrobenzamido)terephthalate
TL;DR: dimethyl 2-(4,5-dimethoxy-2-nitrobenzamido)terephthalate (CAS 349399-61-7) is a chemical compound with molecular formula C19H18N2O9 and molecular weight 418.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]benzene-1,4-dicarboxylate
Also Known As: dimethyl 2-(4,5-dimethoxy-2-nitrobenzamido)terephthalate, dimethyl 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]benzene-1,4-dicarboxylate, 1,4-DIMETHYL 2-(4,5-DIMETHOXY-2-NITROBENZAMIDO)BENZENE-1,4-DICARBOXYLATE, dimethyl 2-{[(4,5-dimethoxy-2-nitrophenyl)carbonyl]amino}benzene-1,4-dicarboxylate, methyl 3-[(4,5-dimethoxy-2-nitrophenyl)carbonylamino]-4-(methoxycarbonyl)benzo ate
| Molecular Formula | C19H18N2O9 |
|---|---|
| Molecular Weight | 418.10 g/mol |
| LogP | 2.4375 |
| Topological Polar Surface Area | 143.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.10123 |
| Heavy Atoms | 30 |
| Complexity | 1017.30493 |
Chemical Identifiers
| CAS Number | 349399-61-7 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)[N+](=O)[O-])OC |
Product Overview
dimethyl 2-(4,5-dimethoxy-2-nitrobenzamido)terephthalate (CAS 349399-61-7), with molecular formula C19H18N2O9 and molecular weight 418.10 g/mol. IUPAC: dimethyl 2-[(4,5-dimethoxy-2-nitrobenzoyl)amino]benzene-1,4-dicarboxylate.
Chemical Property Profile of dimethyl 2-(4,5-dimethoxy-2-nitrobenzamido)terephthalate
Property Insights of dimethyl 2-(4,5-dimethoxy-2-nitrobenzamido)terephthalate
The XLogP value of 2.4375 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 2-(4,5-dimethoxy-2-nitrobenzamido)terephthalate. The TPSA of 143.3 Ų indicates high polarity, suggesting dimethyl 2-(4,5-dimethoxy-2-nitrobenzamido)terephthalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, dimethyl 2-(4,5-dimethoxy-2-nitrobenzamido)terephthalate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of dimethyl 2-(4,5-dimethoxy-2-nitrobenzamido)terephthalate?
The CAS number of dimethyl 2-(4,5-dimethoxy-2-nitrobenzamido)terephthalate is 349399-61-7.
What is the molecular formula of dimethyl 2-(4,5-dimethoxy-2-nitrobenzamido)terephthalate?
The molecular formula of dimethyl 2-(4,5-dimethoxy-2-nitrobenzamido)terephthalate is C19H18N2O9.
What is the molecular weight of dimethyl 2-(4,5-dimethoxy-2-nitrobenzamido)terephthalate?
The molecular weight of dimethyl 2-(4,5-dimethoxy-2-nitrobenzamido)terephthalate is 418.10 g/mol.
Where can I buy dimethyl 2-(4,5-dimethoxy-2-nitrobenzamido)terephthalate?
You can request a quote for dimethyl 2-(4,5-dimethoxy-2-nitrobenzamido)terephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 2-(4,5-dimethoxy-2-nitrobenzamido)terephthalate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 2-(4,5-dimethoxy-2-nitrobenzamido)terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.